Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LEBO43
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| Ligand Name |
9-Chloro-2-({5-[3-(Dimethylamino)propyl]-2-Methylpyridin-3-Yl}amino)-5,7-Dihydro-6h-Pyrimido[5,4-D][1]benzazepine-6-Thione
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| Synonyms |
CHEMBL1945804; 9-Chloro-2-({5-[3-(Dimethylamino)propyl]-2-Methylpyridin-3-Yl}amino)-5,7-Dihydro-6h-Pyrimido[5,4-D][1]benzazepine-6-Thione; SCHEMBL3114478; BDBM50362983; Q27454120; 3TA
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| Structure |
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Download2D MOL |
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| Formula |
C23H25ClN6S
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| Canonical SMILES |
CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)Cl
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| InChI |
1S/C23H25ClN6S/c1-14-19(9-15(12-25-14)5-4-8-30(2)3)28-23-26-13-16-10-21(31)27-20-11-17(24)6-7-18(20)22(16)29-23/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,27,31)(H,26,28,29)
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| InChIKey |
MYVQSDVXBZNNLF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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